2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine

C16H20ClNO — CID 62484684

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine
SMILESCCCNCC(C)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H20ClNO/c1-3-10-18-11-12(2)19-16-9-8-15(17)13-6-4-5-7-14(13)16/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyGQVWJUZVHCNSMY-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.26
Rot. Bonds6

About 2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine

2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine (PubChem CID 62484684) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine
PubChem CID62484684
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine
SMILESCCCNCC(C)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H20ClNO/c1-3-10-18-11-12(2)19-16-9-8-15(17)13-6-4-5-7-14(13)16/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyGQVWJUZVHCNSMY-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791
2-(4-chloronaphthalen-1-yl)oxy-N,3-dimethylbutan-1-amine
CID 62484155
2-naphthalen-2-yloxy-N-propylpropan-1-amine
CID 42630142
2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
CID 62485185
2-(2,6-dimethylphenoxy)-N-propylpropan-1-amine
CID 54798323
N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine
CID 62571196
4-(4-chloronaphthalen-1-yl)oxypentanoic acid
CID 55047842
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine
CID 63506249
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
CID 62484519
N-[2-(2-chloro-4-methylphenoxy)propyl]butan-1-amine
CID 55104480
3-(4-chloronaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 15015312

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine (CID 62484684) is 2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine is CCCNCC(C)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine?
The InChIKey is GQVWJUZVHCNSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-3-10-18-11-12(2)19-16-9-8-15(17)13-6-4-5-7-14(13)16/h4-9,12,18H,3,10-11H2,1-2H3.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine?
2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine has a molecular weight of 277.79 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine is sourced from PubChem (CID 62484684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).